4-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)aniline

C17H18FNO — CID 43443892

IUPAC4-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)aniline
SMILESNc1ccc(F)cc1COC1CCCc2ccccc21
InChIInChI=1S/C17H18FNO/c18-14-8-9-16(19)13(10-14)11-20-17-7-3-5-12-4-1-2-6-15(12)17/h1-2,4,6,8-10,17H,3,5,7,11,19H2
InChIKeyWCDNAWGMHGQUJZ-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.00
Rot. Bonds3

About 4-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)aniline

4-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)aniline (PubChem CID 43443892) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)aniline
PubChem CID43443892
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name4-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)aniline
SMILESNc1ccc(F)cc1COC1CCCc2ccccc21
InChIInChI=1S/C17H18FNO/c18-14-8-9-16(19)13(10-14)11-20-17-7-3-5-12-4-1-2-6-15(12)17/h1-2,4,6,8-10,17H,3,5,7,11,19H2
InChIKeyWCDNAWGMHGQUJZ-UHFFFAOYSA-N
XLogP4.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)aniline
CID 62100757
2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline
CID 62497436
[5-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-2-yl]methanamine
CID 62457498
2-[2-amino-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]acetonitrile
CID 102624855
4-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline
CID 43519719
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)pyrimidin-4-amine
CID 80654849
[5-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)thiophen-2-yl]methanamine
CID 107558127
4-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)aniline
CID 79147734
4-fluoro-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
CID 66101922
4-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazol-2-amine
CID 43137896
1-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 43135615
4-fluoro-2-[(4-methylcyclohexyl)oxymethyl]aniline
CID 43443885

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)aniline?
The IUPAC name of 4-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)aniline (CID 43443892) is 4-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)aniline.
What is the SMILES notation for 4-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)aniline?
The canonical SMILES for 4-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)aniline is Nc1ccc(F)cc1COC1CCCc2ccccc21.
What is the InChIKey of 4-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)aniline?
The InChIKey is WCDNAWGMHGQUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c18-14-8-9-16(19)13(10-14)11-20-17-7-3-5-12-4-1-2-6-15(12)17/h1-2,4,6,8-10,17H,3,5,7,11,19H2.
What are the key properties of 4-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)aniline?
4-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)aniline has a molecular weight of 271.34 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)aniline is sourced from PubChem (CID 43443892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).